[(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine

C13H13BrN2O2S — CID 106602256

IUPAC[(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine
SMILESNNC(c1occc1Br)C1CSc2ccccc2O1
InChIInChI=1S/C13H13BrN2O2S/c14-8-5-6-17-13(8)12(16-15)10-7-19-11-4-2-1-3-9(11)18-10/h1-6,10,12,16H,7,15H2
InChIKeyKDLQQGFQUAOOHC-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.10
Rot. Bonds3

About [(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine

[(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine (PubChem CID 106602256) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is [(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine
PubChem CID106602256
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name[(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine
SMILESNNC(c1occc1Br)C1CSc2ccccc2O1
InChIInChI=1S/C13H13BrN2O2S/c14-8-5-6-17-13(8)12(16-15)10-7-19-11-4-2-1-3-9(11)18-10/h1-6,10,12,16H,7,15H2
InChIKeyKDLQQGFQUAOOHC-UHFFFAOYSA-N
XLogP3.10
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanol
CID 106601107
[2,3-dihydro-1,4-benzoxathiin-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 106602323
[(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine
CID 106602173
[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine
CID 106602146
[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 106602250
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-methylbut-2-enyl]hydrazine
CID 106602260
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine
CID 106602208
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 106602253
[(3-bromofuran-2-yl)-cyclobutylmethyl]hydrazine
CID 105224577
[(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249455
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine
CID 106602161
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 106601575

Frequently Asked Questions

What is the IUPAC name of [(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine?
The IUPAC name of [(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine (CID 106602256) is [(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine is NNC(c1occc1Br)C1CSc2ccccc2O1.
What is the InChIKey of [(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine?
The InChIKey is KDLQQGFQUAOOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c14-8-5-6-17-13(8)12(16-15)10-7-19-11-4-2-1-3-9(11)18-10/h1-6,10,12,16H,7,15H2.
What are the key properties of [(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine?
[(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine has a molecular weight of 341.23 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine is sourced from PubChem (CID 106602256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).